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"created_at": "2022-09-04T14:37:02.192136Z",
"updated_at": "2022-09-04T14:37:02.192163Z",
"structure_string": "H12 C18 S4 O2\n1.0\n4.556067 0.012041 0.372616\n0.798842 7.763498 1.313354\n0.016269 0.141981 11.413045\nH C S O\n12 18 4 2\ndirect\n0.585830 0.047370 0.939973 H\n0.861249 0.930443 0.372976 H\n0.332493 0.995193 0.639146 H\n0.831976 0.995567 0.138952 H\n0.814610 0.537123 0.259319 H\n0.315183 0.537176 0.759568 H\n0.361864 0.930625 0.873209 H\n0.983928 0.236054 0.955781 H\n0.418864 0.800962 0.185455 H\n0.919493 0.801006 0.685620 H\n0.085029 0.047032 0.439960 H\n0.483911 0.235526 0.455791 H\n0.098995 0.103174 0.247883 C\n0.079326 0.979696 0.363781 C\n0.579951 0.979885 0.863881 C\n0.744029 0.325701 0.577267 C\n0.244107 0.325819 0.077429 C\n0.319396 0.830156 0.369803 C\n0.820003 0.830333 0.869942 C\n0.599406 0.103193 0.747899 C\n0.684932 0.580574 0.438633 C\n0.464498 0.755291 0.278554 C\n0.558666 0.219900 0.545368 C\n0.058608 0.220217 0.045384 C\n0.965109 0.755395 0.778727 C\n0.477789 0.092840 0.643734 C\n0.977448 0.093077 0.143652 C\n0.675115 0.612366 0.317356 C\n0.175690 0.612471 0.817574 C\n0.185445 0.580749 0.938853 C\n0.940378 0.724493 0.007030 S\n0.439844 0.724253 0.506868 S\n0.313830 0.274736 0.227315 S\n0.814014 0.274879 0.727136 S\n0.375548 0.460383 0.006410 O\n0.875227 0.460243 0.506117 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6020698040276415,
"density_atomic": 0.08939055542547177,
"volume": 402.7271094653231,
"volume_molar": 6.736887058522511,
"formula_full": "H12 C18 S4 O2",
"formula_reduced": "H6C9S2O",
"formula_anonymous": "AB2C6D9",
"energy_above_hull": 5.304602972222222,
"spacegroup": 1
}
]
}